5-methyl-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one

C13H22N2O2S — CID 135611109

IUPAC5-methyl-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1(C)S/C(=N/CC2CCOCC2)NC1=O
InChIInChI=1S/C13H22N2O2S/c1-9(2)13(3)11(16)15-12(18-13)14-8-10-4-6-17-7-5-10/h9-10H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyAYBXWPCQKAKAQI-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.05
Rot. Bonds3

About 5-methyl-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one

5-methyl-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 135611109) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 5-methyl-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-methyl-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID135611109
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name5-methyl-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1(C)S/C(=N/CC2CCOCC2)NC1=O
InChIInChI=1S/C13H22N2O2S/c1-9(2)13(3)11(16)15-12(18-13)14-8-10-4-6-17-7-5-10/h9-10H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyAYBXWPCQKAKAQI-UHFFFAOYSA-N
XLogP2.05
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 5-methyl-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one (CID 135611109) is 5-methyl-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-methyl-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 5-methyl-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one is CC(C)C1(C)S/C(=N/CC2CCOCC2)NC1=O.
What is the InChIKey of 5-methyl-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is AYBXWPCQKAKAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-9(2)13(3)11(16)15-12(18-13)14-8-10-4-6-17-7-5-10/h9-10H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 5-methyl-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one?
5-methyl-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 270.40 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(oxan-4-ylmethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135611109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).